Tuning the electronic band structure of Mott–Schottky heterojunctions modified with surface sulfur vacancy achieves an oxygen electrode with high catalytic activity for lithium–oxygen batteries

2020 ◽  
Vol 8 (22) ◽  
pp. 11337-11345 ◽  
Author(s):  
Ranxi Liang ◽  
Chaozhu Shu ◽  
Anjun Hu ◽  
Chenxi Xu ◽  
Ruixin Zheng ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Band Structure ◽  
Electronic Band Structure ◽  
Oxygen Electrode ◽  
High Catalytic Activity ◽  
Sulfur Vacancy ◽  
Electronic Band ◽  
New Type ◽  
Lithium Oxygen Batteries

A new type of surface sulfur-vacancy-modified Ru/ZnIn2S4 Mott–Schottky heterojunctions is elaborately proposed to boost the performance of Li–O2 batteries.

Hydrogen interaction with a sulfur-vacancy-induced occupied defect state in the electronic band structure of MoS2

2019 ◽  
Vol 21 (28) ◽  
pp. 15302-15309 ◽  
Author(s):  
Sang Wook Han ◽  
Gi-Beom Cha ◽  
Kyoo Kim ◽  
Soon Cheol Hong
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Photoemission Spectroscopy ◽  
Defect State ◽  
Defect States ◽  
High Concentration ◽  
Sulfur Vacancy ◽  
Electronic Band ◽  
Hydrogen Interaction ◽  
Combination Study

A combination study of photoemission spectroscopy and first-principles calculations reveals that a sufficiently high concentration (2.8–11.1%) of the VS defect on the MoS2 surface induces an occupied defect state in the electronic band structure, in addition to the in-gap defect states.

The electronic band structure of silicon

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

THE ELECTRONIC BAND STRUCTURE OF V3Ga AND V3Si

1972 ◽  
Vol 33 (C3) ◽  
pp. C3-223-C3-233 ◽  
Author(s):  
I. B. GOLDBERG ◽  
M. WEGER
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

Ab initio calculation on the Optical Properties of AA- Stacked two dimensional Graphene, Silicene, Germanene, and Stanene

2018 ◽  
Vol 1 (1) ◽  
pp. 46-50
Author(s):  
Rita John ◽  
Benita Merlin
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Complex Refractive Index ◽  
Single Layer ◽  
Generalized Gradient ◽  
Electronic Band ◽  
Wide Range ◽  
Optical Region

In this study, we have analyzed the electronic band structure and optical properties of AA-stacked bilayer graphene and its 2D analogues and compared the results with single layers. The calculations have been done using Density Functional Theory with Generalized Gradient Approximation as exchange correlation potential as in CASTEP. The study on electronic band structure shows the splitting of valence and conduction bands. A band gap of 0.342eV in graphene and an infinitesimally small gap in other 2D materials are generated. Similar to a single layer, AA-stacked bilayer materials also exhibit excellent optical properties throughout the optical region from infrared to ultraviolet. Optical properties are studied along both parallel (||) and perpendicular ( ) polarization directions. The complex dielectric function (ε) and the complex refractive index (N) are calculated. The calculated values of ε and N enable us to analyze optical absorption, reflectivity, conductivity, and the electron loss function. Inferences from the study of optical properties are presented. In general the optical properties are found to be enhanced compared to its corresponding single layer. The further study brings out greater inferences towards their direct application in the optical industry through a wide range of the optical spectrum.

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